| SpectraBase Compound ID | Jj0MDsd00ju |
|---|---|
| InChI | InChI=1S/C20H31NO4/c1-4-5-6-7-8-9-14-24-19(22)17-11-10-12-18(21-17)20(23)25-15-13-16(2)3/h10-12,16H,4-9,13-15H2,1-3H3 |
| InChIKey | GJNXIIOHOJIBSX-UHFFFAOYSA-N |
| Mol Weight | 349.47 g/mol |
| Molecular Formula | C20H31NO4 |
| Exact Mass | 349.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LdWTsvgXiKw |
|---|---|
| Name | 2,6-Pyridinedicarboxylic acid, 3-methylbutyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.225308478 u |
| Formula | C20H31NO4 |
| InChI | InChI=1S/C20H31NO4/c1-4-5-6-7-8-9-14-24-19(22)17-11-10-12-18(21-17)20(23)25-15-13-16(2)3/h10-12,16H,4-9,13-15H2,1-3H3 |
| InChIKey | GJNXIIOHOJIBSX-UHFFFAOYSA-N |
| Molecular Weight | 349.471 g/mol |
| SMILES | CCCCCCCCOC(C=1N=C(C(OCCC(C)C)=O)C=CC1)=O |